1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone

C12H16FN3O3 — CID 122160230

IUPAC1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H16FN3O3/c1-18-8-11(17)16-4-2-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyWLHLWIPQRHRRQE-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.63
Rot. Bonds4

About 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone

1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone (PubChem CID 122160230) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone
PubChem CID122160230
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H16FN3O3/c1-18-8-11(17)16-4-2-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyWLHLWIPQRHRRQE-UHFFFAOYSA-N
XLogP0.63
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone (CID 122160230) is 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone?
The InChIKey is WLHLWIPQRHRRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-18-8-11(17)16-4-2-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone?
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone has a molecular weight of 269.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 122160230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).